VMD-L Mailing List

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon Sep 18 2017 - 11:20:04 CDT

Hi Sheena, that format uses array indexing C-style: the right-most index is
the one that is changed at every element.

At any rate, the MDAnalysis people have a nice Python module for accessing
DX files:
https://github.com/MDAnalysis/GridDataFormats
You should consider using it instead of writing your own parser.

Giacomo

On Mon, Sep 18, 2017 at 11:38 AM, Sheena Singh <sheena28.singh_at_gmail.com>
wrote:

> Can anybody please guide me regarding the output for the dx file for
> occupancy(VolMap) that is given in the standard format of 3 rows and 3
> columns, how are they numbered i.e. rowwise or columnwise. Is it that the
> first row is filled first or the first column.
> 

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin